4-(4-chlorophenyl)sulfanyl-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-(2-ethyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-(2-ethylpiperidino)-5-nitro-pyrimidine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClN4O2S/c1-2-13-5-3-4-10-21(13)16-15(22(23)24)17(20-11-19-16)25-14-8-6-12(18)7-9-14/h6-9,11,13H,2-5,10H2,1H3